(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid

C14H26N2O3 — CID 107566610

IUPAC(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)C1CCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-7-11(13(17)18)15-14(19)16(3)12-9-6-5-8-10(12)2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,11-,12?/m1/s1
InChIKeyFBAICURXRADMQK-MOENNCHZSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid

(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid (PubChem CID 107566610) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
PubChem CID107566610
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N(C)C1CCCCC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-7-11(13(17)18)15-14(19)16(3)12-9-6-5-8-10(12)2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,11-,12?/m1/s1
InChIKeyFBAICURXRADMQK-MOENNCHZSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3-Methyl-2-[(4-methyl-piperidine-1-carbonyl)-amino]-pentanoic acid
CID 16682089
(S)-3-Methyl-2-[3-(2-methyl-cyclohexyl)-ureido]-butyric acid methyl ester
CID 16682427
(2S)-2-(azepane-1-carbonylamino)-4-methylpentanoic acid
CID 7530182
(S)-2-[(Azepane-1-carbonyl)-amino]-3-methyl-pentanoic acid
CID 12968579
(S)-2-(3-isopropylureido)-4-methylpentanoic acid
CID 663650
(2S,3R)-2-(3-cyclopropylureido)-3-methylpentanoic acid
CID 663720
(S)-2-(3-Isopropyl-ureido)-3-methyl-pentanoic acid
CID 9550048
(R)-2-(3-Isobutyl-ureido)-4-methyl-pentanoic acid
CID 1854707
(S)-3-Methyl-2-(3-pentyl-ureido)-butyric acid
CID 2026390
(S)-4-Methyl-2-[3-(2-methyl-cyclohexyl)-ureido]-pentanoic acid methyl ester
CID 9551811
N-(cyclohexylcarbamoyl)leucine
CID 4208059
1-{[(Propan-2-yl)carbamoyl]amino}cyclohexane-1-carboxylic acid
CID 16789773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid (CID 107566610) is (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N(C)C1CCCCC1C)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid?
The InChIKey is FBAICURXRADMQK-MOENNCHZSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-11(13(17)18)15-14(19)16(3)12-9-6-5-8-10(12)2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,11-,12?/m1/s1.
What are the key properties of (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid?
(2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107566610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).